13-deoxyarmellide A (CHEBI:206247)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206247 - 13-deoxyarmellide A

Take structure to advanced search

ChEBI ID	CHEBI:206247
ChEBI Name	13-deoxyarmellide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H32O7
Net Charge	0
Average Mass	432.513
Monoisotopic Mass	432.21480
SMILES	COc1cc(C)c(C(=O)OCC2=C[C@@H]3CC(C)(C)[C@H](O)[C@@H]3[C@@]3(C)C[C@@H](O)[C@@]23O)c(O)c1
InChI	InChI=1S/C24H32O7/c1-12-6-15(30-5)8-16(25)18(12)21(28)31-11-14-7-13-9-22(2,3)20(27)19(13)23(4)10-17(26)24(14,23)29/h6-8,13,17,19-20,25-27,29H,9-11H2,1-5H3/t13-,17-,19-,20-,23-,24+/m1/s1
InChIKey	LBEGSQVVWJVFHH-OCQSXXIKSA-N

Species of Metabolite	Component	Source	Comments
Armillariaspecies (ncbitaxon:1906949)	-	PubMed (24906293)

ChEBI Ontology

Outgoing Relation(s)
	13-deoxyarmellide A (CHEBI:206247) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
[(2R,2aS,4aS,7R,7aS,7bR)-2,2a,7-trihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-3-yl]methyl 2-hydroxy-4-methoxy-6-methylbenzoate

Manual Xrefs	Databases
78442104	ChemSpider